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Si\n0.725390 0.903252 0.138377 Si\n0.224011 0.956645 0.859563 Si\n","nsites":100,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":2.4350755585557375,"density_atomic":0.05221330501477975,"volume":1915.2206505926702,"volume_molar":11.533728344327839,"formula_full":"Si100","formula_reduced":"Si","formula_anonymous":"A","energy":-510.84078139,"energy_per_atom":-5.1084078139,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-510.84078139,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:26.758000Z","spacegroup":1},{"id":"mp-1206569","created_at":"2022-09-04T14:48:04.454329Z","structure_string":"Tm4 Mg2 Si4\n1.0\n0.000000 0.000000 4.180360\n7.078483 0.000000 0.000000\n0.000000 7.078483 0.000000\nTm Mg Si\n4 2 4\ndirect\n0.500000 0.178223 0.678223 Tm\n0.500000 0.821777 0.321777 Tm\n0.500000 0.321777 0.178223 Tm\n0.500000 0.678223 0.821777 Tm\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.619330 0.119330 Si\n0.000000 0.380670 0.880670 Si\n0.000000 0.880670 0.619330 Si\n0.000000 0.119330 0.380670 Si\n","nsites":10,"nelements":3,"elements":["Tm","Mg","Si"],"chemical_system":"Mg-Si-Tm","density":6.633137553073974,"density_atomic":0.04774258497204028,"volume":209.4566099815573,"volume_molar":12.613771884213591,"formula_full":"Tm4 Mg2 Si4","formula_reduced":"Tm2MgSi2","formula_anonymous":"AB2C2","energy":-49.43878784,"energy_per_atom":-4.943878784000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.72278784,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006978,"is_theoretical":true,"updated_at":"2021-11-28T01:38:28.299000Z","spacegroup":127},{"id":"mp-22749","created_at":"2022-09-04T14:48:04.454595Z","structure_string":"Mn10 C4\n1.0\n2.237235 5.812146 0.000000\n-2.237235 5.812146 0.000000\n0.000000 0.645248 4.955602\nMn C\n10 4\ndirect\n0.626098 0.806733 0.693460 Mn\n0.193267 0.373902 0.806540 Mn\n0.373902 0.193267 0.306540 Mn\n0.806733 0.626098 0.193460 Mn\n0.430608 0.569392 0.750000 Mn\n0.569392 0.430608 0.250000 Mn\n0.189139 0.011772 0.080774 Mn\n0.988228 0.810861 0.419226 Mn\n0.810861 0.988228 0.919226 Mn\n0.011772 0.189139 0.580774 Mn\n0.430164 0.796316 0.421384 C\n0.203684 0.569836 0.078616 C\n0.569836 0.203684 0.578616 C\n0.796316 0.430164 0.921384 C\n","nsites":14,"nelements":2,"elements":["Mn","C"],"chemical_system":"C-Mn","density":7.6976237982619535,"density_atomic":0.1086309306933579,"volume":128.87673805832551,"volume_molar":5.543670409120609,"formula_full":"Mn10 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Ni2","formula_reduced":"CrNi2","formula_anonymous":"AB2","energy":-21.26867678,"energy_per_atom":-7.089558926666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.26867678,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0195075,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.270000Z","spacegroup":71}]}